2,4-dichlorocyclohexa-1,5-diene-1,4-diamine

C6H8Cl2N2 — CID 69118758

IUPAC2,4-dichlorocyclohexa-1,5-diene-1,4-diamine
SMILESNC1=C(Cl)CC(N)(Cl)C=C1
InChIInChI=1S/C6H8Cl2N2/c7-4-3-6(8,10)2-1-5(4)9/h1-2H,3,9-10H2
InChIKeyRRHRTSXHXQNGEP-UHFFFAOYSA-N
MW179.05 g/mol
LogP1.25
Rot. Bonds

About 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine

2,4-dichlorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 69118758) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,4-dichlorocyclohexa-1,5-diene-1,4-diamine
PubChem CID69118758
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name2,4-dichlorocyclohexa-1,5-diene-1,4-diamine
SMILESNC1=C(Cl)CC(N)(Cl)C=C1
InChIInChI=1S/C6H8Cl2N2/c7-4-3-6(8,10)2-1-5(4)9/h1-2H,3,9-10H2
InChIKeyRRHRTSXHXQNGEP-UHFFFAOYSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine (CID 69118758) is 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine is NC1=C(Cl)CC(N)(Cl)C=C1.
What is the InChIKey of 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is RRHRTSXHXQNGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2/c7-4-3-6(8,10)2-1-5(4)9/h1-2H,3,9-10H2.
What are the key properties of 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine?
2,4-dichlorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 179.05 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 69118758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).